SCHEMBL27786362

SCHEMBL27786362

CN(C)CC(CN1c2ccccc2Sc2ccccc21)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.65
HTR1A P08908 6/20 0.65
ADRA2A P08913 6/20 0.65
CHRM1 P11229 6/20 0.65
DRD1 P21728 6/20 0.65
ADRA1A P35348 6/20 0.65
OPRM1 P35372 6/20 0.65
DRD3 P35462 6/20 0.65
KCNH2 Q12809 6/20 0.65
SLC6A2 P23975 5/20 0.65
SLC6A4 P31645 5/20 0.65
TBXA2R P21731 3/20 0.65
HRH3 Q9Y5N1 2/20 0.65
ABCB11 O95342 2/20 0.65
SLC6A3 Q01959 2/20 0.65
CYP2D6 P10635 8/20 0.56
LMNA P02545 5/20 0.56
CYP1A2 P05177 5/20 0.56
PTGS1 P23219 4/20 0.56
ALDH1A1 P00352 4/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Methylpromazine SCHEMBL18994 0.79 CHRM2 (1.00) CHRM2HTR1AADRA2ACHRM1DRD1
Methylpromazine SCHEMBL29354434 0.79 CHRM2 (1.00) CHRM2HTR1AADRA2ACHRM1DRD1
Methylpromazine SCHEMBL18993 0.79 CHRM2 (1.00) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL28795955 0.78 CHRM2 (0.70) CHRM2HTR1AADRA2ACHRM1DRD1
Aminopromazine SCHEMBL25156 0.78 CHRM2 (0.70) CHRM2HTR1AADRA2ACHRM1DRD1
Methylpromazine SCHEMBL2774391 0.78 CHRM2 (0.97) CHRM2HTR1AADRA2ACHRM1DRD1
Aminopromazine SCHEMBL30990818 0.78 CHRM2 (0.70) CHRM2HTR1AADRA2ACHRM1DRD1
Aminopromazine SCHEMBL5307944 0.77 CHRM2 (0.68) CHRM2HTR1AADRA2ACHRM1DRD1
Hydrochloric Acid SCHEMBL28702086 0.77 HTR1A (0.68) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL13611321 0.75 PTGS1 (0.56) CHRM2HTR1AADRA2ACHRM1DRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101594868-B Pharmaceutical composition with antipsychotic, antidepressant or antiepileptic activity and reduced side effects GENE RES LAB INC US N 2012-12-12 CN disclosed
CN-101594868-A Pharmaceutical composition with antipsychotic, antidepressant or antiepileptic activity and reduced side effects N GENE RES LAB INC (US) 2009-12-02 CN disclosed